Information card for entry 2010959

Structure parameters

• Formula: C21 H22 Cl Cu F6 N4 O P
• Calculated formula: C21 H22 Cl Cu F6 N4 O P
• SMILES: [Cu]12(Cl)[n]3ccccc3C[N]1(Cc1[n]2cccc1)CCNC(=O)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: [<i>N</i>'-Benzoyl-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl-κ<i>N</i>)ethylenediamine-κ<i>N</i>]chlorocopper(II) hexafluorophosphate
• Authors of publication: Kani, Yoshiyuki; Ohba, Shigeru; Nishida, Yuzo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e196 - e196
• a: 13.064 ± 0.003 Å
• b: 13.347 ± 0.004 Å
• c: 14.077 ± 0.003 Å
• α: 90°
• β: 101.52 ± 0.02°
• γ: 90°
• Cell volume: 2405.1 ± 1.1 ų
• Cell temperature: 296 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes